4-Phenyl-1H-1,2,3-triazole

Basic Information

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CAS Number

1680-44-0

Molecular Formula

C8H7N3

Molecular Weight

145.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Boiling Point

346ºC at 760 mmHg

Density

1.214 g/cm3

Flash Point

169.4ºC

Refractive Index

1.61

SMILES

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C1=CC=C(C=C1)C2=NNN=C2

InChI

InChI=1S/C8H7N3/c1-2-4-7(5-3-1)8-6-9-11-10-8/h1-6H,(H,9,10,11)

InChIKey

LUEYUHCBBXWTQT-UHFFFAOYSA-N

LogP

1.4716999999999998

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

121

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

SCHEMBL9868
BDBM17448
J-010427
SY211430
NSC83125
NSC-83125
1680-44-0
AKOS016004578
4-Phenyl-1H-[1,2,3]triazole
AKOS006344505
AM803309
4-Phenyl-1,2,3-triazole
v-Triazole, 4-phenyl-
BDBM50260368
AKOS015899430
CHEMBL193664
AC-26697
4-phenyl-2H-triazole
5-phenyl-1H-1,2,3-triazole
BB 0261690
5-Phenyl-1H-[1,2,3]triazole
1H-1,2,3-Triazole, 4-phenyl-
4-phenyltriazole
A3722
Z2798585249
3-Methyl-5-methylsulfanyl-4-vinylthiophene-2-carboxylicacid
FT-0648428
5-phenyl-1,2,3-triazole
SCHEMBL8221447
EN300-379195
4-Phenyl-1H-1,2,3-triazole, AldrichCPR

MDL Number

MFCD00760404

Customs Code

2933990090

FAQ

What is 4-Phenyl-1H-1,2,3-triazole (CAS: 1680-44-0)?

4-Phenyl-1H-1,2,3-triazole (CAS: 1680-44-0) is an organic compound with the molecular formula C9H7N3. It is a heterocyclic compound characterized by its aromatic and nitrogen-containing structure. This compound is often used in pharmaceuticals and as a building block in organic synthesis.

What are the main uses of 4-Phenyl-1H-1,2,3-triazole (CAS: 1680-44-0)?

4-Phenyl-1H-1,2,3-triazole (CAS: 1680-44-0) is widely used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It is also utilized in the preparation of dyes, pesticides, and as a precursor in organic synthesis.

Is 4-Phenyl-1H-1,2,3-triazole (CAS: 1680-44-0) safe?

4-Phenyl-1H-1,2,3-triazole (CAS: 1680-44-0) is generally considered safe when handled with appropriate precautions. However, it should be stored in a cool, dry place and away from direct sunlight. It is important to follow safety guidelines and wear appropriate personal protective equipment when handling this compound.

How should 4-Phenyl-1H-1,2,3-triazole (CAS: 1680-44-0) be stored?

4-Phenyl-1H-1,2,3-triazole (CAS: 1680-44-0) should be stored in a cool, dry place with a temperature not exceeding 25°C. It should be protected from direct sunlight and stored in airtight containers to prevent exposure to moisture and air. Handle with care to avoid spillage and ensure proper disposal after use.